N-[2-(phenylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c23-20(21-11-14-26-16-17-7-2-1-3-8-17)18-9-6-10-19(15-18)27(24,25)22-12-4-5-13-22/h1-3,6-10,15H,4-5,11-14,16H2,(H,21,23)